4-(3-fluoro-4-methylphenyl)pentan-2-ol

C12H17FO — CID 107129476

IUPAC4-(3-fluoro-4-methylphenyl)pentan-2-ol
SMILESCc1ccc(C(C)CC(C)O)cc1F
InChIInChI=1S/C12H17FO/c1-8-4-5-11(7-12(8)13)9(2)6-10(3)14/h4-5,7,9-10,14H,6H2,1-3H3
InChIKeyJZQPEIJZXVZBCI-UHFFFAOYSA-N
MW196.26 g/mol
LogP3.01
Rot. Bonds3

About 4-(3-fluoro-4-methylphenyl)pentan-2-ol

4-(3-fluoro-4-methylphenyl)pentan-2-ol (PubChem CID 107129476) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylphenyl)pentan-2-ol.

Molecular Properties

Compound Name4-(3-fluoro-4-methylphenyl)pentan-2-ol
PubChem CID107129476
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name4-(3-fluoro-4-methylphenyl)pentan-2-ol
SMILESCc1ccc(C(C)CC(C)O)cc1F
InChIInChI=1S/C12H17FO/c1-8-4-5-11(7-12(8)13)9(2)6-10(3)14/h4-5,7,9-10,14H,6H2,1-3H3
InChIKeyJZQPEIJZXVZBCI-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine
CID 170020811
2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
CID 145113474
1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol
CID 107130631
(3-fluoro-4-methylphenyl)-hydroxymethanesulfonic acid
CID 103574297
1-(3-fluoro-4-methylphenyl)butane-1,2-diol
CID 107128649
3-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 107128201
1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol
CID 113261628
(2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol
CID 97051735
1-(3-fluoro-4-methylphenyl)-2-phenylpropan-1-ol
CID 107128049
1-(3-fluoro-4-methylphenyl)-3-methylbut-3-en-1-ol
CID 79177359
4-chloro-1-(3-fluoro-4-methylphenyl)butan-1-ol
CID 107128525
(1R)-1-(3-fluoro-4-methylphenyl)but-3-en-1-ol
CID 26595281

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methylphenyl)pentan-2-ol?
The IUPAC name of 4-(3-fluoro-4-methylphenyl)pentan-2-ol (CID 107129476) is 4-(3-fluoro-4-methylphenyl)pentan-2-ol.
What is the SMILES notation for 4-(3-fluoro-4-methylphenyl)pentan-2-ol?
The canonical SMILES for 4-(3-fluoro-4-methylphenyl)pentan-2-ol is Cc1ccc(C(C)CC(C)O)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methylphenyl)pentan-2-ol?
The InChIKey is JZQPEIJZXVZBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-8-4-5-11(7-12(8)13)9(2)6-10(3)14/h4-5,7,9-10,14H,6H2,1-3H3.
What are the key properties of 4-(3-fluoro-4-methylphenyl)pentan-2-ol?
4-(3-fluoro-4-methylphenyl)pentan-2-ol has a molecular weight of 196.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylphenyl)pentan-2-ol is sourced from PubChem (CID 107129476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).